* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    149    241     438
    1     0 S   NP   _N1_     1    28.71033    95.08124   -22.21141
    2     1 S   H    _HN1     2     1.02974    83.77636    27.43814
    3     1 S   H    _H1_     3     1.02820    31.45566   165.47735
    4     1 S   H    _H2_     4     1.02776    96.48666   -80.33397
    5     1 S   CT   _CA1     5     1.50168   140.58805   142.06519
    6     5 S   HC   _HA1     6     1.09584   105.18492    71.95688
    7     5 S   CO3  _C1_     7     1.53770   112.47797   -48.01083
    8     7 S   O2Z  _O11     8     1.26346   115.03419   -41.22434
    9     7 S   O2Z  _O12     9     1.26260   114.91693   137.82251
   10     5 S   CT   _CB1    10     1.53062   107.29805  -170.34156
   11    10 S   HC   HB11    11     1.09819   109.04467   -52.14689
   12    10 S   HC   HB12    12     1.09826   110.44007    64.24106
   13    10 S   CT   _CG1    13     1.53009   112.90068  -173.46193
   14    13 S   HC   HG11    14     1.09597   110.25224   -65.87456
   15    13 S   HC   HG12    15     1.09642   110.17054    53.36380
   16    13 S   C    _CD1    16     1.51812   112.21497   173.34103
   17    16 S   O    _OE1    17     1.22713   123.19379   -10.43975
   18    16 S   N    _N2_    18     1.38630   111.80630   170.72007
   19    18 S   H    _HN2    19     1.01568   119.08965     1.49619
   20    18 S   CT1  _CA2    20     1.46087   123.24403   179.98022
   21    20 S   HC   _HA2    21     1.09601   109.37856    -2.49175
   22    20 S   C    _C2_    22     1.53522   108.84623  -117.85726
   23    22 S   O    _O2_    23     1.23054   122.04147  -147.31692
   24    20 S   CT   _CB2    32     1.53348   111.59421   119.77296
   25    24 S   HC   HB21    33     1.09656   109.65804    61.26429
   26    24 S   HC   HB22    34     1.09574   110.92791   178.61294
   27    22 S   N    _N3_    24     1.38453   113.64247    40.08938
   28    27 S   H    _HN3    25     1.01508   118.95243    -0.83063
   29    24 S   S    _SG2    35     1.82790   114.65767   -58.65038
   30    27 S   CT   _CA3    26     1.45452   123.57909   175.36384
   31    30 S   HC   HA31    27     1.09511   109.50970    20.19354
   32    30 S   HC   HA32    28     1.09508   107.09220   137.18136
   33    29 S   CT   _C18    36     1.82123    99.80165   -66.59946
   34    33 S   HC   _H3_    37     1.09369   109.71342   -46.37465
   35    33 S   HC   _H4_    38     1.09356   108.27643    70.15600
   36    30 S   CO3  _C3_    29     1.52873   112.76467  -103.45245
   37    36 S   O2Z  _O31    30     1.26421   115.21763   -51.09747
   38    36 S   O2Z  _O32    31     1.26325   115.11524   129.73409
   39    33 S   CM   _C4_    39     1.50336   110.49784  -167.87527
   40    39 S   CMA  _C5_    40     1.35180   126.90293  -111.36204
   41    40 S   OM   _O16    41     1.26299   128.11582    -0.00000
   42    40 S   OS   _O17    42     1.42153   109.71386  -178.15220
   43    42 S   CT   _C10    43     1.43633   106.08288   -16.18005
   44    43 S   HC   _H27    44     1.10222   105.13066   -89.11603
   45    43 S   CT   _C6_    45     1.52575   110.43368   157.66439
   46    45 S   HC   _H22    46     1.09734   109.50879   179.05622
   47    45 S   HC   _H23    47     1.09945   105.76253    65.48198
   48    39 S   CT   _C7_    61     1.50432   121.43660    69.35263
   49    48 S   HC   _H24    62     1.09934   108.13910   -57.60860
   50    45 S   CT   _C9_    48     1.54511   117.71606   -53.88420
   51    50 S   HC   _H26    49     1.09484   110.31113    46.63915
   52    50 S   CT   _C8_    50     1.53290   110.78837   -76.58927
   53    52 S   HC   _H25    51     1.10069   106.38963   -54.37793
   54    50 S   CT   _C16    72     1.54102   107.72521   162.61177
   55    54 S   HC   _H32    73     1.09552   111.27207    63.35385
   56    54 S   HC   _H33    74     1.09564   110.79749   -56.75709
   57    54 S   HC   _H34    75     1.09402   111.66857  -175.67867
   58    52 S   C3T  _C11    52     1.51541   115.99110  -171.39775
   59    58 S   HC   _H28    53     1.07746   118.87963   -18.84802
   60    58 S   C3T  _C12    54     1.49715   107.80308  -157.25265
   61    60 S   HC   _H29    55     1.07761   119.91453   140.71620
   62    60 S   CT   _C14    56     1.50474   107.09574     2.54968
   63    62 S   HC   _H31    57     1.09634   109.93474   -95.12859
   64    58 S   O3T  _O18    71     1.42953   115.32524   140.01109
   65    52 S   CT   _C15    58     1.56566   117.02945    67.39429
   66    62 S   OH   _O20    69     1.41898   111.22630   145.08355
   67    66 S   HO   _H41    70     0.97239   107.31818    63.59452
   68    65 S   CT   _C13    59     1.54929   113.10705   -73.00087
   69    68 S   HC   _H30    60     1.09677   107.06717  -161.87180
   70    65 S   CT   _C17    65     1.54843   113.08295    55.35581
   71    70 S   HC   _H35    66     1.09566   111.02691  -175.65463
   72    70 S   HC   _H36    67     1.09575   112.26985    64.95452
   73    70 S   HC   _H37    68     1.08801   112.84160   -54.18480
   74    68 S   OH   _O19    63     1.43835   108.75048   -49.50230
   75    74 S   HO   _H40    64     0.97268   107.66341  -166.99417
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  15   6   5  10
   4  15   8  21   9   5   2   1   1  10   5   9   5  12   6   2
  10   3   1   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    65    68    69    48    49    74  
   41    42    43    44    45    68    48    49  
   42    43    48  
   43    44    45    46    47    50    68    48    49  
   44    45    46    47    50    51    52    65    68    69    48    49    74    54  
   45    46    47    50    68    48    49  
   46    47    50    51    52    53    58    65    68    48    49    54    55    56    57  
   47    50    51    52    48    54  
   50    51    52    48    54  
   49    74    75    70    50    52    62    65    68    69  
   74    65    68    69  
   51    52    53    58    59    60    62    65    68    70    64    54    55    56    57  
   52    53    58    65    54    55    56    57  
   53    58    59    60    61    62    63    65    68    69    74    70    71    72    73    66    64    54    55    56    57  
   58    59    60    62    65    68    70    64    54  
   55    56    57    58    65  
   56    57  
   57  
    0  
   59    60    61    62    63    65    68    70    66    64  
   60    61    62    65    64  
   61    62    63    65    68    70    66    67    64  
   62    63    65    66    64  
   63    65    68    69    74    70    71    72    73    66    67    64  
   65    68    70    66    67    64  
   65    66  
   68    69    74    75    70    71    72    73    66    67  
   67    68    70  
    0  
   69    74    75    70    71    72    73  
   74    75    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    58   275.000  1.510
   52    65   268.000  1.529
   58    59   340.000  1.088
   58    60   260.000  1.509
   58    64   335.000  1.432
   60    61   340.000  1.088
   60    62   275.000  1.510
   60    64   335.000  1.432
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    66   320.000  1.410
   65    68   268.000  1.529
   65    70   268.000  1.529
   68    69   340.000  1.090
   68    48   268.000  1.529
   68    74   320.000  1.410
   48    49   340.000  1.090
   74    75   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   66    67   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    68    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    68    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    58.35000  112.70000
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    58    70.00000  112.37300
   50    52    65    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    40.00000  115.04500
   52    58    60    60.00000  120.94000
   52    58    64    80.00000  116.47100
   52    65    62    58.35000  112.70000
   52    65    68    58.35000  112.70000
   52    65    70    58.35000  112.70000
   58    52    53    45.00000  109.38400
   58    60    61    37.50000  117.20000
   58    60    62    60.00000  120.94000
   58    60    64    15.00000   60.43100
   58    64    60    15.00000   59.14900
   60    58    59    37.50000  117.20000
   60    62    63    45.00000  109.38400
   60    62    65    70.00000  112.37300
   60    62    66    50.00000  109.50000
   62    60    61    40.00000  115.04500
   62    65    68    58.35000  112.70000
   62    65    70    58.35000  112.70000
   62    66    67    55.00000  108.50000
   65    52    53    37.50000  110.70000
   65    52    58    70.00000  112.37300
   65    62    63    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    48    58.35000  112.70000
   65    68    74    50.00000  109.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    48    49    37.50000  110.70000
   68    74    75    55.00000  108.50000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    68    69    37.50000  110.70000
   74    68    69    35.00000  109.50000
   74    68    48    50.00000  109.50000
   70    65    68    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    65    50.00000  109.50000
   64    58    59    50.00000  114.27700
   64    58    60    15.00000   60.43100
   64    60    61    50.00000  114.27700
   64    60    62    80.00000  116.47100
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    68   0.46850  1.0 1.0
   33    39    48    68   0.08550 -1.0 2.0
   33    39    48    68   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    68   0.09850  1.0 1.0
   40    39    48    68   0.15250 -1.0 2.0
   40    39    48    68  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    68   0.62750  1.0 1.0
   42    43    48    68  -0.30950 -1.0 2.0
   42    43    48    68   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.56750  1.0 1.0
   43    45    50    52  -0.07550 -1.0 2.0
   43    45    50    52   0.20000  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    68   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    68   0.56750  1.0 1.0
   45    43    48    68  -0.07550 -1.0 2.0
   45    43    48    68   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    52    53   0.15000  1.0 3.0
   45    50    52    58   0.47050  1.0 1.0
   45    50    52    58   0.03900 -1.0 2.0
   45    50    52    58   0.20100  1.0 3.0
   45    50    52    65   0.56750  1.0 1.0
   45    50    52    65  -0.07550 -1.0 2.0
   45    50    52    65   0.20000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.07850  1.0 1.0
   50    52    58    60  -0.03950 -1.0 2.0
   50    52    58    60   0.67350  1.0 3.0
   50    52    58    64   0.02550  1.0 1.0
   50    52    58    64  -0.02600 -1.0 2.0
   50    52    58    64   1.20400  1.0 3.0
   50    52    65    62   0.56750  1.0 1.0
   50    52    65    62  -0.07550 -1.0 2.0
   50    52    65    62   0.20000  1.0 3.0
   50    52    65    68   0.56750  1.0 1.0
   50    52    65    68  -0.07550 -1.0 2.0
   50    52    65    68   0.20000  1.0 3.0
   50    52    65    70   0.56750  1.0 1.0
   50    52    65    70  -0.07550 -1.0 2.0
   50    52    65    70   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    52    65   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    58    60    61   0.15000  1.0 3.0
   52    58   -60    62   0.56750  1.0 1.0
   52    58   -60    62  -0.07550 -1.0 2.0
   52    58   -60    62   0.20000  1.0 3.0
   52    58   -60    64   0.02550  1.0 1.0
   52    58   -60    64  -0.02600 -1.0 2.0
   52    58   -60    64   1.20400  1.0 3.0
   52    58   -64    60   0.06250  1.0 1.0
   52    58   -64    60  -0.01100 -1.0 2.0
   52    58   -64    60   0.28050  1.0 3.0
   52    65    68    69   0.15000  1.0 3.0
   52    65    68    48   0.56750  1.0 1.0
   52    65    68    48  -0.07550 -1.0 2.0
   52    65    68    48   0.20000  1.0 3.0
   52    65    68    74   0.86500  1.0 1.0
   52    65    68    74  -0.17500 -1.0 2.0
   52    65    68    74   0.20800  1.0 3.0
   52    65    70    71   0.15000  1.0 3.0
   52    65    70    72   0.15000  1.0 3.0
   52    65    70    73   0.15000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    64   0.23400  1.0 3.0
   53    52    65    62   0.15000  1.0 3.0
   53    52    65    68   0.15000  1.0 3.0
   53    52    65    70   0.15000  1.0 3.0
   58    52   -65    62   0.47050  1.0 1.0
   58    52   -65    62   0.03900 -1.0 2.0
   58    52   -65    62   0.20100  1.0 3.0
   58    52    65    68   0.47050  1.0 1.0
   58    52    65    68   0.03900 -1.0 2.0
   58    52    65    68   0.20100  1.0 3.0
   58    52    65    70   0.47050  1.0 1.0
   58    52    65    70   0.03900 -1.0 2.0
   58    52    65    70   0.20100  1.0 3.0
   58    60    62    63   0.15000  1.0 3.0
   58    60   -62    65   0.07850  1.0 1.0
   58    60   -62    65  -0.03950 -1.0 2.0
   58    60   -62    65   0.67350  1.0 3.0
   58    60    62    66   0.86500  1.0 1.0
   58    60    62    66  -0.17500 -1.0 2.0
   58    60    62    66   0.20800  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58   -60    64   0.23400  1.0 3.0
   59    58   -64    60   0.36800  1.0 3.0
   60    62   -65    52   0.47050  1.0 1.0
   60    62   -65    52   0.03900 -1.0 2.0
   60    62   -65    52   0.20100  1.0 3.0
   60    62    65    68   0.47050  1.0 1.0
   60    62    65    68   0.03900 -1.0 2.0
   60    62    65    68   0.20100  1.0 3.0
   60    62    65    70   0.47050  1.0 1.0
   60    62    65    70   0.03900 -1.0 2.0
   60    62    65    70   0.20100  1.0 3.0
   60    62    66    67  -0.11600  1.0 1.0
   60    62    66    67  -0.09450 -1.0 2.0
   60    62    66    67   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    66   0.23400  1.0 3.0
   61    60   -64    58   0.36800  1.0 3.0
   62    60   -64    58   0.06250  1.0 1.0
   62    60   -64    58  -0.01100 -1.0 2.0
   62    60   -64    58   0.28050  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    48   0.56750  1.0 1.0
   62    65    68    48  -0.07550 -1.0 2.0
   62    65    68    48   0.20000  1.0 3.0
   62    65    68    74   0.86500  1.0 1.0
   62    65    68    74  -0.17500 -1.0 2.0
   62    65    68    74   0.20800  1.0 3.0
   62    65    70    71   0.15000  1.0 3.0
   62    65    70    72   0.15000  1.0 3.0
   62    65    70    73   0.15000  1.0 3.0
   63    62    65    52   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    70   0.15000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   65    52    58    59   0.15000  1.0 3.0
   65    52   -58    60   0.07850  1.0 1.0
   65    52   -58    60  -0.03950 -1.0 2.0
   65    52   -58    60   0.67350  1.0 3.0
   65    52    58    64   0.02550  1.0 1.0
   65    52    58    64  -0.02600 -1.0 2.0
   65    52    58    64   1.20400  1.0 3.0
   65    62    66    67  -0.11600  1.0 1.0
   65    62    66    67  -0.09450 -1.0 2.0
   65    62    66    67   0.21250  1.0 3.0
   65    68    48    39   0.34400  1.0 1.0
   65    68    48    39   0.09450 -1.0 2.0
   65    68    48    39   0.11100  1.0 3.0
   65    68    48    43   0.56750  1.0 1.0
   65    68    48    43  -0.07550 -1.0 2.0
   65    68    48    43   0.20000  1.0 3.0
   65    68    48    49   0.15000  1.0 3.0
   65    68    74    75  -0.11600  1.0 1.0
   65    68    74    75  -0.09450 -1.0 2.0
   65    68    74    75   0.21250  1.0 3.0
   68    65    70    71   0.15000  1.0 3.0
   68    65    70    72   0.15000  1.0 3.0
   68    65    70    73   0.15000  1.0 3.0
   69    68    48    39   0.15000  1.0 3.0
   69    68    48    43   0.15000  1.0 3.0
   69    68    48    49   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   48    68    74    75  -0.11600  1.0 1.0
   48    68    74    75  -0.09450 -1.0 2.0
   48    68    74    75   0.21250  1.0 3.0
   74    68    48    39   1.05650  1.0 1.0
   74    68    48    39   0.15600 -1.0 2.0
   74    68    48    39   0.53150  1.0 3.0
   74    68    48    43   0.86500  1.0 1.0
   74    68    48    43  -0.17500 -1.0 2.0
   74    68    48    43   0.20800  1.0 3.0
   74    68    48    49   0.23400  1.0 3.0
   70    65    68    69   0.15000  1.0 3.0
   70    65    68    48   0.56750  1.0 1.0
   70    65    68    48  -0.07550 -1.0 2.0
   70    65    68    48   0.20000  1.0 3.0
   70    65    68    74   0.86500  1.0 1.0
   70    65    68    74  -0.17500 -1.0 2.0
   70    65    68    74   0.20800  1.0 3.0
   66    62    65    52   0.86500  1.0 1.0
   66    62    65    52  -0.17500 -1.0 2.0
   66    62    65    52   0.20800  1.0 3.0
   66    62    65    68   0.86500  1.0 1.0
   66    62    65    68  -0.17500 -1.0 2.0
   66    62    65    68   0.20800  1.0 3.0
   66    62    65    70   0.86500  1.0 1.0
   66    62    65    70  -0.17500 -1.0 2.0
   66    62    65    70   0.20800  1.0 3.0
   64    58   -60    61   0.23400  1.0 3.0
   64    58   -60    62   0.02550  1.0 1.0
   64    58   -60    62  -0.02600 -1.0 2.0
   64    58   -60    62   1.20400  1.0 3.0
   64    60    62    63   0.23400  1.0 3.0
   64    60   -62    65   0.02550  1.0 1.0
   64    60   -62    65  -0.02600 -1.0 2.0
   64    60   -62    65   1.20400  1.0 3.0
   64    60    62    66   3.69350  1.0 1.0
   64    60    62    66  -1.82950 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    58   0.47050  1.0 1.0
   54    50    52    58   0.03900 -1.0 2.0
   54    50    52    58   0.20100  1.0 3.0
   54    50    52    65   0.56750  1.0 1.0
   54    50    52    65  -0.07550 -1.0 2.0
   54    50    52    65   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
